About 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide
6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide (PubChem CID 139487815) has the molecular formula C25H20ClFN8O2
and a molecular weight of 518.94 g/mol. Its IUPAC name is 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide.
Molecular Properties
| Compound Name | 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide |
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| PubChem CID | 139487815 |
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| Molecular Formula | C25H20ClFN8O2 |
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| Molecular Weight | 518.94 g/mol |
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| Exact Mass | 518.14 |
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| IUPAC Name | 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide |
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| SMILES | NC(=O)c1cc(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)cnc12 |
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| InChI | InChI=1S/C25H20ClFN8O2/c26-18-3-4-34-12-31-19(23(34)21(18)27)9-30-25(37)20-11-35(33-32-20)10-13-5-15-7-16(14-1-2-14)8-29-22(15)17(6-13)24(28)36/h3-8,11-12,14H,1-2,9-10H2,(H2,28,36)(H,30,37) |
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| InChIKey | BILHIKZWAIIMIU-UHFFFAOYSA-N |
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| XLogP | 3.22 |
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| TPSA | 133.09 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 518.94 |
| LogP ≤ 5 | 3.22 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide?
The IUPAC name of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide (CID 139487815) is 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide.
What is the SMILES notation for 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide?
The canonical SMILES for 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide is NC(=O)c1cc(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)cnc12.
What is the InChIKey of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide?
The InChIKey is BILHIKZWAIIMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN8O2/c26-18-3-4-34-12-31-19(23(34)21(18)27)9-30-25(37)20-11-35(33-32-20)10-13-5-15-7-16(14-1-2-14)8-29-22(15)17(6-13)24(28)36/h3-8,11-12,14H,1-2,9-10H2,(H2,28,36)(H,30,37).
What are the key properties of 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide?
6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide has a molecular weight of 518.94 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-3-cyclopropylquinoline-8-carboxamide is sourced from PubChem (CID 139487815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).